Home Other Building Blocks 2-(thiomorpholin-4-yl)propanoic acid

2-(thiomorpholin-4-yl)propanoic acid

CAS No.:
6007-57-4
Catalog Number:
AG01A1NV
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
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Product Description
Catalog Number:
AG01A1NV
Chemical Name:
2-(thiomorpholin-4-yl)propanoic acid
CAS Number:
6007-57-4
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
MDL Number:
MFCD11115754
IUPAC Name:
2-thiomorpholin-4-ylpropanoic acid
InChI:
InChI=1S/C7H13NO2S/c1-6(7(9)10)8-2-4-11-5-3-8/h6H,2-5H2,1H3,(H,9,10)
InChI Key:
BSIGZMZFMCERQC-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)N1CCSCC1
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties